Xinjian Yan, graduated from the Department of Chemistry, Peking University in 1978, and received a PhD from the Institute of Process Engineering, Chinese Academy of Sciences in 1991. He conducted molecular modeling as postdoctoral fellow at the Institute of Cancer, National Institutes of Health from 1992 to 1995 and the Department of Chemistry and Biochemistry, University of Texas at Austin from 1995 to 1996. Jiaju Zhou, Professor, Institute of Process Engineering, Chinese Academy of Sciences, graduated from the Department of Chemistry (a six-year program), Peking University in 1963. He is an organic and computational chemist who has spent many years studying the chemical composition of plants used medicinally in China. Guirong Xie graduated from the chemistry department of Shandong University, Jinan, China in 1965. Since 1990 she has focused on computer-aided molecular design and databases relating to the structure and activity of compounds. The Editor G W A Milne served 36 years as a research chemist at the National Institutes of Health in Bethesda, MD, USA. Here he worked on the use of spectroscopy for structure determination of organic compounds, and on molecular modeling in the design of drugs for the treatment of cancer and AIDS. He has been active for many years in the fields of chemical information and chemical computation, and is the Editor of the American Chemical Society's Journal of Chemical Information and Computer Sciences and Gardner's Chemical Synonyms and Trade Names, Eleventh Edition (Ashgate).